[3,4-bis(oxidanyl)phenyl]methyl-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: [3,4-bis(oxidanyl)phenyl]methyl-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: (3,4-dihydroxyphenyl)methyl-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: (3,4-dihydroxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: (3,4-dihydroxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [(1S)-1,2-dimethylpropyl]-protocatechuyl-ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[NH2+]CC1=CC(=C(C=C1)O)O

Isomeric SMILES

C[C@@H](C(C)C)[NH2+]CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H19NO2/c1-8(2)9(3)13-7-10-4-5-11(14)12(15)6-10/h4-6,8-9,13-15H,7H2,1-3H3/p+1/t9-/m0/s1